1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine

C17H35N3 — CID 123230761

IUPAC1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine
SMILESCCCCCC(N=C1CC1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H35N3/c1-6-11-12-15-17(18-16-13-14-16,19(7-2)8-3)20(9-4)10-5/h6-15H2,1-5H3
InChIKeyHXISBBLJWZLIOU-UHFFFAOYSA-N
MW281.49 g/mol
LogP4.14
Rot. Bonds11

About 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine

1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine (PubChem CID 123230761) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine.

Molecular Properties

Compound Name1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine
PubChem CID123230761
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine
SMILESCCCCCC(N=C1CC1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C17H35N3/c1-6-11-12-15-17(18-16-13-14-16,19(7-2)8-3)20(9-4)10-5/h6-15H2,1-5H3
InChIKeyHXISBBLJWZLIOU-UHFFFAOYSA-N
XLogP4.14
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N,3-triethyldodecan-3-amine
CID 150961559
1-N-(cyclopropen-1-yl)-1-N',1-N',1-N",1-N"-tetraethylhexane-1,1,1-triamine
CID 71092197
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867
11-methyl-11-nonylhenicosane
CID 19690388
undecane-6,6-dithiol
CID 154290055
13-methyl-13-octylhentriacontane
CID 173152457
hexane;molybdenum
CID 162092649
6,6-dipentylundecane
CID 19690398
9-methyl-N,N-dioctyloctadecan-9-amine;hydrochloride
CID 175484802
23-docosylpentatetracontan-23-yl(trimethyl)azanium chloride
CID 176898262
5-butyl-5-methylpentadecane
CID 174700907
tetradecane-6,6-dithiol
CID 54417735

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine?
The IUPAC name of 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine (CID 123230761) is 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine.
What is the SMILES notation for 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine?
The canonical SMILES for 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine is CCCCCC(N=C1CC1)(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine?
The InChIKey is HXISBBLJWZLIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-11-12-15-17(18-16-13-14-16,19(7-2)8-3)20(9-4)10-5/h6-15H2,1-5H3.
What are the key properties of 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine?
1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine has a molecular weight of 281.49 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylideneamino)-1-N,1-N,1-N',1-N'-tetraethylhexane-1,1-diamine is sourced from PubChem (CID 123230761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).